Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50093211
Substrate
n/a
Meas. Tech.
ChEBML_211803
Ki
850±n/a nM
Citation
 Chitkul, B; Bradley, M Optimising inhibitors of trypanothione reductase using solid-phase chemistry. Bioorg Med Chem Lett 10:2367-9 (2001) [PubMed]  Article 
Target
Name:
Trypanothione reductase
Synonyms:
N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYCR
Type:
Homodimer; oxidoreductase
Mol. Mass.:
53868.26
Organism:
Trypanosoma cruzi
Description:
n/a
Residue:
492
Sequence:
MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVPKKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEGLEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELTKQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNAGVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHTRVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHSDGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKPSEASL
  
Inhibitor
Name:
BDBM50093211
Synonyms:
CHEMBL308396 | Spermine derivative
Type:
Small organic molecule
Emp. Form.:
C29H27F6N5O4
Mol. Mass.:
623.5462
SMILES:
Oc1c(cnc2cc(ccc12)C(F)(F)F)C(=O)NCCCCNCCCNC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F
Structure:
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